CID 137944677

[2-(trifluoromethyl)oxan-2-yl]methanol

Structural Information

Molecular Formula
C7H11F3O2
SMILES
C1CCOC(C1)(CO)C(F)(F)F
InChI
InChI=1S/C7H11F3O2/c8-7(9,10)6(5-11)3-1-2-4-12-6/h11H,1-5H2
InChIKey
WRKWJTMXCWVERQ-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)oxan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07112 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07840 135.1
[M+Na]+ 207.06034 141.4
[M-H]- 183.06384 133.7
[M+NH4]+ 202.10494 154.7
[M+K]+ 223.03428 141.2
[M+H-H2O]+ 167.06838 128.6
[M+HCOO]- 229.06932 149.3
[M+CH3COO]- 243.08497 175.2
[M+Na-2H]- 205.04579 142.1
[M]+ 184.07057 127.8
[M]- 184.07167 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.